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7UUR
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The 1.67 Angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - catalytic dimer (Huc2S2L)
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, HYDROXIDE ION, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-28
公開日2023-01-04
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (1.67 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
7UUS
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The CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Full complex focused refinement of stalk
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-28
公開日2023-01-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
7UTD
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BU of 7utd by Molmil
The 2.19-angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Complex minus stalk
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ...
著者Grinter, R, Venugopal, H, Kropp, A, Greening, C.
登録日2022-04-26
公開日2023-01-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
5N7T
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Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-02-21
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
5MZC
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BU of 5mzc by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
5MZK
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BU of 5mzk by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
分子名称: 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
2Y3P
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BU of 2y3p by Molmil
Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8
分子名称: DNA GYRASE SUBUNIT A, MAGNESIUM ION, SIMOCYCLINONE D8
著者Edwards, M.J, Flatman, R.H, Mitchenall, L.A, Stevenson, C.E.M, Le, T.B.K, Clarke, T.A, McKay, A.R, Fiedler, H.-P, Buttner, M.J, Lawson, D.M, Maxwell, A.
登録日2010-12-22
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8, Bound to DNA Gyrase.
Science, 326, 2009
4P26
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BU of 4p26 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA
分子名称: P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-01
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P2N
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BU of 4p2n by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-04
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P1V
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BU of 4p1v by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA
分子名称: P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-02-27
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5497 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4Q5T
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BU of 4q5t by Molmil
Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 at 1.91 A resolution
分子名称: Lipoprotein, NONAETHYLENE GLYCOL, SELENOMETHIONINE
著者Joint Center for Structural Genomics (JCSG)
登録日2014-04-17
公開日2014-06-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 at 1.91 A resolution
To be published
4P3I
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BU of 4p3i by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA.
分子名称: P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-07
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6941 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P12
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BU of 4p12 by Molmil
Native Structure of the P domain from a GI.7 Norovirus variant.
分子名称: Major capsid protein
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-02-24
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6011 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P25
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BU of 4p25 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-01
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4991 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
3R43
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BU of 3r43 by Molmil
AKR1C3 complexed with mefenamic acid
分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ...
著者Squire, C.J, Teague, R.M, Yosaatmadja, L.
登録日2011-03-17
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3N0G
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BU of 3n0g by Molmil
Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens) in complex with three Mg2+ ions and dimethylallyl-S-thiolodiphosphate
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, Isoprene synthase, MAGNESIUM ION
著者Koksal, M, Christianson, D.W.
登録日2010-05-14
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of isoprene synthase illuminates the chemical mechanism of teragram atmospheric carbon emission.
J.Mol.Biol., 402, 2010
3N0F
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BU of 3n0f by Molmil
Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens)
分子名称: Isoprene synthase
著者Koksal, M, Christianson, D.W.
登録日2010-05-13
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of isoprene synthase illuminates the chemical mechanism of teragram atmospheric carbon emission.
J.Mol.Biol., 402, 2010
4BTW
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BU of 4btw by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
4BTX
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BU of 4btx by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
6QNV
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Fibrinogen-like globe domain of Human Tenascin-C
分子名称: Tenascin
著者Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2019-02-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
6F9Q
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Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+
分子名称: 7S-cis-cis-nepetalactol cyclase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lichman, B.R, Kamileen, M.O, Titchiner, G, Saalbach, G, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2017-12-15
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis.
Nat. Chem. Biol., 15, 2019
4BTY
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BU of 4bty by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
6T2D
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
4ITG
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P113S mutant of E. coli Cystathionine beta-lyase MetC
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC
著者Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
登録日2013-01-18
公開日2014-12-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016

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